Ethyl Acetate

Ethyl Acetate

SCHEMBL8046018

CCOC(C)=O.O=C(O)[C@H](Cc1ccccc1)N[N+](=O)[O-]

nearest known ligand 0.47

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.47
CTSB P07858 4/20 0.47
MMP8 P22894 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CPA1 P15085 3/20 0.43
POLB P06746 1/20 0.43
TACR1 P25103 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Ethyl Acetate SCHEMBL8046014 1.00 CTSL (0.47) CTSLCTSBMMP8L3MBTL1CPA1
SCHEMBL28219511 0.89 CTSL (0.45) CTSLCTSBMMP8L3MBTL1CPA1
SCHEMBL28009569 0.87 MMP8 (0.52) CTSLCTSBMMP8CPA1
SCHEMBL28009571 0.87 MMP8 (0.52) CTSLCTSBMMP8CPA1
SCHEMBL28308525 0.86 CPA1 (0.54) L3MBTL1CPA1
SCHEMBL93589 0.86 CPA1 (0.54) L3MBTL1CPA1
SCHEMBL414333 0.86 CPA1 (0.54) L3MBTL1CPA1
SCHEMBL93588 0.86 CPA1 (0.54) L3MBTL1CPA1
Water SCHEMBL7180276 0.85 CPA1 (0.53) L3MBTL1CPA1
Hydrochloric Acid SCHEMBL1422098 0.85 CPA1 (0.53) L3MBTL1CPA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6160123-A One pot synthesis of 2-oxazolidinone derivatives ZENECA, LTD. (GB) 2000-12-12 US disclosed